CID 235571

1-(2-methylphenyl)-3-phenylguanidine

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=CC=CC=C1N=C(N)NC2=CC=CC=C2
InChI
InChI=1S/C14H15N3/c1-11-7-5-6-10-13(11)17-14(15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H3,15,16,17)
InChIKey
IKOWCCQMFQLCGP-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

225.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13388 150.7
[M+Na]+ 248.11582 156.4
[M-H]- 224.11932 158.3
[M+NH4]+ 243.16042 168.2
[M+K]+ 264.08976 152.8
[M+H-H2O]+ 208.12386 142.5
[M+HCOO]- 270.12480 178.3
[M+CH3COO]- 284.14045 198.6
[M+Na-2H]- 246.10127 157.5
[M]+ 225.12605 147.5
[M]- 225.12715 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe